5-methylthiophen-2-amine hydrochloride

• ChemBase ID: 37487
• Molecular Formular: C5H8ClNS
• Molecular Mass: 149.64172
• Monoisotopic Mass: 149.00659794
• SMILES: s1c(ccc1C)N.Cl
• Canonical SMILES: Cc1ccc(s1)N.Cl
• InChI: InChI=1S/C5H7NS.ClH/c1-4-2-3-5(6)7-4;/h2-3H,6H2,1H3;1H
• InChIKey: LILOTHBDLYJRIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methylthiophen-2-amine hydrochloride
• IUPAC Traditional name: 5-methylthiophen-2-amine hydrochloride
• Synonyms: (5-Methyl-2-thienyl)amine hydrochloride

Database IDs

• CAS Number: 41940-48-1
• MDL Number: MFCD12028167
• PubChem SID: 161000794
• PubChem CID: 12330505

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.736618
• LogD (pH = 7.4): 1.7366186
• Log P: 1.7366186
• Molar Refractivity: 32.0804 cm^3
• Polarizability: 11.873584 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false